3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane

C14H27N3O — CID 145305118

IUPAC3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane
SMILESCC.CCc1nc(C)c(C)c(=O)n1CCN(C)C
InChIInChI=1S/C12H21N3O.C2H6/c1-6-11-13-10(3)9(2)12(16)15(11)8-7-14(4)5;1-2/h6-8H2,1-5H3;1-2H3
InChIKeyBSKGUIQIYCMXQR-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.01
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane

3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane (PubChem CID 145305118) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane
PubChem CID145305118
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane
SMILESCC.CCc1nc(C)c(C)c(=O)n1CCN(C)C
InChIInChI=1S/C12H21N3O.C2H6/c1-6-11-13-10(3)9(2)12(16)15(11)8-7-14(4)5;1-2/h6-8H2,1-5H3;1-2H3
InChIKeyBSKGUIQIYCMXQR-UHFFFAOYSA-N
XLogP2.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5-Trimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68986103
2-Ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68986585
3-Ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one
CID 13123701
2,3,5,6-Tetramethylpyrimidin-4-one
CID 13149275
6-[Di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one
CID 18719748
3-Ethyl-2,5,6-trimethylpyrimidin-4-one
CID 22091870
5-Amino-3-ethyl-2,6-dimethylpyrimidin-4-one
CID 22949222
1,2,5,6-Tetramethylpyrimidin-4-one
CID 58821037
2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 59119712
2,3,5,6-Tetramethyl-1-propan-2-ylpyrimidin-1-ium-4-one
CID 59338933
2,5,6-Trimethyl-3-propan-2-ylpyrimidin-4-one
CID 59463795
3,4,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 59876761

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane (CID 145305118) is 3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane is CC.CCc1nc(C)c(C)c(=O)n1CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane?
The InChIKey is BSKGUIQIYCMXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.C2H6/c1-6-11-13-10(3)9(2)12(16)15(11)8-7-14(4)5;1-2/h6-8H2,1-5H3;1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane?
3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane has a molecular weight of 253.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-2-ethyl-5,6-dimethylpyrimidin-4-one;ethane is sourced from PubChem (CID 145305118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).